2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[1-(2,5-dimethylphenyl)ethyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[1-(2,5-dimethylphenyl)ethyl]benzamide Formula: C29H36N2O2S MolecularWeight: 476.67334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H36N2O2S/c1-18-8-9-19(2)25(10-18)20(3)30-28(33)24-6-4-5-7-26(24)34-17-27(32)31-29-14-21-11-22(15-29)13-23(12-21)16-29/h4-10,20-23H,11-17H2,1-3H3,(H,30,33)(H,31,32)